[5-chloranyl-2-[6-methyl-5-[2-(oxidanylidenemethylidene)-1H-pyrimidin-5-yl]-4-piperazin-1-yl-pyridin-3-yl]sulfonyl-1H-indol-3-yl] ethanoate

Systemtic Name: [5-chloranyl-2-[6-methyl-5-[2-(oxidanylidenemethylidene)-1H-pyrimidin-5-yl]-4-piperazin-1-yl-pyridin-3-yl]sulfonyl-1H-indol-3-yl] ethanoate Openeye Name: [5-chloro-2-[[6-methyl-5-[2-(oxomethylene)-1H-pyrimidin-5-yl]-4-piperazin-1-yl-3-pyridyl]sulfonyl]-1H-indol-3-yl] acetate CAS Name: acetic acid [5-chloro-2-[[6-methyl-5-[2-(oxomethylidene)-1H-pyrimidin-5-yl]-4-(1-piperazinyl)-3-pyridinyl]sulfonyl]-1H-indol-3-yl] ester IUPAC Name: [5-chloro-2-[6-methyl-5-[2-(oxomethylidene)-1H-pyrimidin-5-yl]-4-piperazin-1-ylpyridin-3-yl]sulfonyl-1H-indol-3-yl] acetate Traditional Name: acetic acid [5-chloro-2-[[5-[2-(ketomethylene)-1H-pyrimidin-5-yl]-6-methyl-4-piperazino-3-pyridyl]sulfonyl]-1H-indol-3-yl] ester Formula: C25H23ClN6O5S MolecularWeight: 555.00532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1C2=CNC(=C=O)N=C2)N3CCNCC3)S(=O)(=O)C4=C(C5=C(N4)C=CC(=C5)Cl)OC(=O)C

Isomeric SMILES

CC1=NC=C(C(=C1C2=CNC(=C=O)N=C2)N3CCNCC3)S(=O)(=O)C4=C(C5=C(N4)C=CC(=C5)Cl)OC(=O)C

InChI

InChI=1S/C25H23ClN6O5S/c1-14-22(16-10-29-21(13-33)30-11-16)23(32-7-5-27-6-8-32)20(12-28-14)38(35,36)25-24(37-15(2)34)18-9-17(26)3-4-19(18)31-25/h3-4,9-12,27,29,31H,5-8H2,1-2H3